2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine

C13H19NO2S — CID 64906105

IUPAC2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CCC(N)C2C)cc1
InChIInChI=1S/C13H19NO2S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-12(14)10(13)2/h3-6,10,12-13H,7-8,14H2,1-2H3
InChIKeyNZSLDERUTQLMDB-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.89
Rot. Bonds2

About 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine

2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine (PubChem CID 64906105) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
PubChem CID64906105
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CCC(N)C2C)cc1
InChIInChI=1S/C13H19NO2S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-12(14)10(13)2/h3-6,10,12-13H,7-8,14H2,1-2H3
InChIKeyNZSLDERUTQLMDB-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
CID 64904071
3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine
CID 64904901
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine
CID 64906315
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
2-(4-fluorophenyl)sulfonylcyclobutan-1-amine
CID 134203404
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
CID 12556444
2-fluorocyclopropan-1-amine;4-methylbenzenesulfonate
CID 22936757
(1R,2S,4S)-2-(4-methylphenyl)sulfonylbicyclo[2.2.1]heptane
CID 102426584
cis-(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999892
cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050
2-(4-methylsulfonylphenyl)sulfonylcyclohexan-1-amine
CID 64675519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine?
The IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine (CID 64906105) is 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine is Cc1ccc(S(=O)(=O)C2CCC(N)C2C)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine?
The InChIKey is NZSLDERUTQLMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-12(14)10(13)2/h3-6,10,12-13H,7-8,14H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine?
2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64906105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).